Geometry & MOs

Info

ID:	417416
PubChem CID:	135093586
Reduced:	N2O4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	339.169525
ΔH_f, kcal/mol:	-100.2
Dipole, Da:	5.73
IP(EA), eV:	-8.76(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-phenyl-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CN2CCC3(CC2)C4=CC(=C(C=C4CCO3)OC)OC

DOS

IR

Vibrations